SCHEMBL6316401

SCHEMBL6316401

COC(=O)c1ccc(CN(C(=O)Cc2ccc(OC)cc2)C2CCCCN2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.48
HTR2A P28223 2/20 0.47
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
CCR5 P51681 4/20 0.44
POLB P06746 3/20 0.44
EPHX2 P34913 1/20 0.43
OPRM1 P35372 1/20 0.42
DRD1 P21728 1/20 0.42
HRH2 P25021 1/20 0.42
HTR2C P28335 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
KCNH2 Q12809 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CYP2D6 P10635 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6317318 0.90 SIGMAR1 (0.45) SIGMAR1HTR2AMAPTCCR5POLB
SCHEMBL6104472 0.88 SIGMAR1 (0.50) SIGMAR1HTR2ACCR5POLBOPRM1
SCHEMBL6103164 0.85 OPRK1 (0.48) SIGMAR1HTR2AALDH1A1CCR5POLB
SCHEMBL6309994 0.85 OPRK1 (0.48) SIGMAR1HTR2AALDH1A1CCR5POLB
SCHEMBL341489 0.82 HTR2A (0.66) HTR2APOLBOPRM1
SCHEMBL6104408 0.80 SIGMAR1 (0.47) SIGMAR1MEN1ALDH1A1MAPTKMT2A
SCHEMBL9995204 0.77 HTR2A (0.51) SIGMAR1HTR2ACCR5POLBEPHX2
SCHEMBL6102744 0.77 HTR2A (0.50) SIGMAR1HTR2ACCR5POLBEPHX2
SCHEMBL6103397 0.77 CCR5 (0.48) HTR2AMEN1ALDH1A1KMT2ACCR5
SCHEMBL4203051 0.76 SIGMAR1 (0.47) SIGMAR1HTR2AMEN1ALDH1A1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014757-A1 Azacyclic compounds ANDERSSON CARL-MAGNUS A (DK) 2005-01-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050014757-A1 Azacyclic compounds HTR6, TPMT, HNMT SIGMAR1 295/4885HTR2A 10/4885MEN1 570/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.